SCHEMBL7085535

SCHEMBL7085535

Cc1ccccc1CC(=O)Nc1cccc(C(=O)Oc2ccccc2)c1Cl

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.47
MAPK10 P53779 3/20 0.46
MAPK8 P45983 2/20 0.46
MAPK9 P45984 1/20 0.46
SMN1; SMN2 Q16637 2/20 0.44
HPGD P15428 2/20 0.44
KDM4E B2RXH2 3/20 0.44
KMT2A Q03164 3/20 0.44
MEN1 O00255 2/20 0.44
LMNA P02545 1/20 0.44
PTGER4 P35408 1/20 0.44
POLB P06746 2/20 0.43
TDP1 Q9NUW8 2/20 0.43
SIRT2 Q8IXJ6 1/20 0.43
P2RX4 Q99571 1/20 0.43
NPC1 O15118 1/20 0.43
RAB9A P51151 1/20 0.43
TSHR P16473 2/20 0.42
MAPT P10636 1/20 0.42
APEX1 P27695 1/20 0.42

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL7085594 0.79 HSD17B10 (0.55) ALDH1A1SMN1; SMN2HPGDKDM4EKMT2A
SCHEMBL7120711 0.79 MEN1 (0.57) ALDH1A1SMN1; SMN2HPGDKDM4EKMT2A
SCHEMBL28346934 0.77 MAPT (0.56) ALDH1A1HPGDKDM4EKMT2AMEN1
SCHEMBL10650158 0.76 MAPK10 (0.70) ALDH1A1MAPK10MAPK8MAPK9SMN1; SMN2
SCHEMBL7085598 0.76 SMN1; SMN2 (0.48) ALDH1A1MAPK10MAPK8MAPK9SMN1; SMN2
SCHEMBL10844635 0.76 KMT2A (0.66) ALDH1A1MAPK8SMN1; SMN2HPGDKDM4E
SCHEMBL12323599 0.75 HPGD (0.62) ALDH1A1MAPK8HPGDKMT2AMEN1
SCHEMBL7084933 0.74 MEN1 (0.51) ALDH1A1HPGDKDM4EKMT2AMEN1
SCHEMBL12284509 0.72 HPGD (0.57) ALDH1A1MAPK8HPGDKMT2AMEN1
SCHEMBL18098213 0.71 MAPK10 (0.62) ALDH1A1MAPK10MAPK8MAPK9SMN1; SMN2

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20030171422-A1 New nitromethyl ketones, process for preparing them and compositions containing them MERCK PATENT GMBH (DE) 2003-09-11 US disclosed
US-6559185-B2 Nitromethyl ketone compounds having aldose reduction inhibiting properties and methods for their use MERCK PATENT GMBH (DE) 2003-05-06 US disclosed
US-20030069312-A1 Antidiabetic agents LARDY CLAUDE (FR) 2003-04-10 US disclosed
US-6043281-A ALDOSE REDUCTASE INHIBITORS; TREATMENT OR PREVENTION OF COMPLICATIONS OF DIABETES MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2000-03-28 US disclosed
US-5932765-A REDUCTASE INHIBITORS MERCK PATENT GESELLSCHAFT MIT (DE) 1999-08-03 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20030069312-A1 Antidiabetic agents SLC5A1, SLC5A2, GPR119 ALDH1A1 33/4885MAPK10 2763/4885MAPK8 3116/4885
US-20030171422-A1 New nitromethyl ketones, process for preparing them and compositions containing them AKR1B1, AKR1A1, AKR1C1 ALDH1A1 63/4885MAPK10 2431/4885MAPK8 2676/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.